6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc

C5H7N3O2SZn — CID 174846708

IUPAC6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc
SMILESCn1c(SN)cc(=O)[nH]c1=O.[Zn]
InChIInChI=1S/C5H7N3O2S.Zn/c1-8-4(11-6)2-3(9)7-5(8)10;/h2H,6H2,1H3,(H,7,9,10);
InChIKeyURYRLBYSXXUERD-UHFFFAOYSA-N
MW238.59 g/mol
LogP-0.96
Rot. Bonds1

About 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc

6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc (PubChem CID 174846708) has the molecular formula C5H7N3O2SZn and a molecular weight of 238.59 g/mol. Its IUPAC name is 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc.

Molecular Properties

Compound Name6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc
PubChem CID174846708
Molecular FormulaC5H7N3O2SZn
Molecular Weight238.59 g/mol
Exact Mass236.96
IUPAC Name6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc
SMILESCn1c(SN)cc(=O)[nH]c1=O.[Zn]
InChIInChI=1S/C5H7N3O2S.Zn/c1-8-4(11-6)2-3(9)7-5(8)10;/h2H,6H2,1H3,(H,7,9,10);
InChIKeyURYRLBYSXXUERD-UHFFFAOYSA-N
XLogP-0.96
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.59
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 63964773
5,6-diamino-3-methyl-1H-benzimidazol-2-one
CID 10910122
6-anilino-1-methylpyrimidine-2,4-dione
CID 1230896
1-ethyl-6-phenylsulfanylpyrimidine-2,4-dione
CID 67615670
3-methyl-1,5-dihydroimidazo[4,5-c]pyridine-2,6-dione
CID 154953953
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
sodium 3-methyl-2,4-dioxo-1H-pyrimidin-6-olate
CID 23704376
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
5-amino-1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69288376
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 130182854
6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826

Frequently Asked Questions

What is the IUPAC name of 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc?
The IUPAC name of 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc (CID 174846708) is 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc.
What is the SMILES notation for 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc?
The canonical SMILES for 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc is Cn1c(SN)cc(=O)[nH]c1=O.[Zn].
What is the InChIKey of 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc?
The InChIKey is URYRLBYSXXUERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S.Zn/c1-8-4(11-6)2-3(9)7-5(8)10;/h2H,6H2,1H3,(H,7,9,10);.
What are the key properties of 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc?
6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc has a molecular weight of 238.59 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminosulfanyl-1-methylpyrimidine-2,4-dione;zinc is sourced from PubChem (CID 174846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).